5,5-dimethyl-2-[1-(prop-2-enoxyamino)propylidene]cyclohexane-1,3-dione hydrate

Systemtic Name: 5,5-dimethyl-2-[1-(prop-2-enoxyamino)propylidene]cyclohexane-1,3-dione hydrate Openeye Name: 2-[1-(allyloxyamino)propylidene]-5,5-dimethyl-cyclohexane-1,3-dione hydrate CAS Name: 5,5-dimethyl-2-[1-(prop-2-enoxyamino)propylidene]cyclohexane-1,3-dione hydrate IUPAC Name: 5,5-dimethyl-2-[1-(prop-2-enoxyamino)propylidene]cyclohexane-1,3-dione hydrate Traditional Name: 2-[1-(allyloxyamino)propylidene]-5,5-dimethyl-cyclohexane-1,3-quinone hydrate Formula: C14H23NO4 MolecularWeight: 269.33672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)(C)C)NOCC=C.O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)(C)C)NOCC=C.O

InChI

InChI=1S/C14H21NO3.H2O/c1-5-7-18-15-10(6-2)13-11(16)8-14(3,4)9-12(13)17;/h5,15H,1,6-9H2,2-4H3;1H2